对氨基苯甲酸酯类的紫外吸收性能的定量构效关系 Ⅰ.化合物的合成及其PPP法量子化学计算  

Quantitative Structure-Activity Relationship to the UV Absorbing of p-Aminobenzoates Ⅰ. Synthesis of Compounds and PPP Quantum-Chemical Calculation

作　　者：缪裘缇[1] 孙恒庆[1] 

机构地区：[1]华东化工学院精细化工研究所

出　　处：《华东化工学院学报》1992年第5期634-640,共7页

摘　　要：用亚硫酰氯滴入对氨基(或对二甲氨基)苯甲酸与无水乙醇(或酚)的混合物中,使酰化、酯化一次完成,合成了七个对氨基(对二甲氨基)苯甲酸酯类化合物。用PPP方法对包括上述合成产物在内的十个对氨基苯甲酸及其酯进行了计算,得出了与紫外吸收波长和吸收强度有关的参数,并对其表征吸收强度的参数SOSC进行了修正。Seven p-amino (or p-dimethylamino) benzoates, in which two are new comp- ounds, were synthesized. The experimental resuhs show that "one-pot" methed is adaptable,so that the acylation and esterification can carry on simutaneously. By PPP quantum chemistry calculation for the ten p-aminobenzoa tes, the parameters about their λ_n and ε_n were obtained. And the parameter SOSC, which indicates the degree of extinction coefficient, was modified.

关 键 词：氨基 甲酸酯 紫外线辐射 吸收剂 

分 类 号：O625.523[理学—有机化学]